6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one

C23H19FN2O2 — CID 135546074

IUPAC6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
SMILESC[C@H](Cn1c(-c2ccccc2O)nc2ccc(F)cc2c1=O)c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-15(16-7-3-2-4-8-16)14-26-22(18-9-5-6-10-21(18)27)25-20-12-11-17(24)13-19(20)23(26)28/h2-13,15,27H,14H2,1H3/t15-/m1/s1
InChIKeyUNJUMLWEALXSDD-OAHLLOKOSA-N
MW374.42 g/mol
LogP4.71
Rot. Bonds4

About 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one

6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one (PubChem CID 135546074) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
PubChem CID135546074
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
SMILESC[C@H](Cn1c(-c2ccccc2O)nc2ccc(F)cc2c1=O)c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-15(16-7-3-2-4-8-16)14-26-22(18-9-5-6-10-21(18)27)25-20-12-11-17(24)13-19(20)23(26)28/h2-13,15,27H,14H2,1H3/t15-/m1/s1
InChIKeyUNJUMLWEALXSDD-OAHLLOKOSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one (CID 135546074) is 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one is C[C@H](Cn1c(-c2ccccc2O)nc2ccc(F)cc2c1=O)c1ccccc1.
What is the InChIKey of 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one?
The InChIKey is UNJUMLWEALXSDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15(16-7-3-2-4-8-16)14-26-22(18-9-5-6-10-21(18)27)25-20-12-11-17(24)13-19(20)23(26)28/h2-13,15,27H,14H2,1H3/t15-/m1/s1.
What are the key properties of 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one?
6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one has a molecular weight of 374.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one is sourced from PubChem (CID 135546074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).